REMARK Name = BDB048682 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.525 2.378 -0.113 0.00 0.00 -0.281 N ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.990 3.652 -0.107 0.00 0.00 +0.291 A ATOM 3 O LIG 1 -0.117 4.649 0.254 0.00 0.00 -0.424 OA ATOM 4 C LIG 1 -0.858 5.790 0.181 0.00 0.00 +0.157 A ATOM 5 C LIG 1 -2.134 5.437 -0.217 0.00 0.00 +0.111 A ATOM 6 C LIG 1 -3.099 6.441 -0.369 0.00 0.00 +0.031 A ATOM 7 C LIG 1 -2.720 7.767 -0.107 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.415 8.081 0.295 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -0.441 7.087 0.451 0.00 0.00 +0.048 A ATOM 10 N LIG 1 -2.204 4.081 -0.397 0.00 0.00 -0.195 NA ENDBRANCH 1 2 BRANCH 1 11 ATOM 11 C LIG 1 0.921 2.155 -0.126 0.00 0.00 +0.144 C BRANCH 11 14 ATOM 12 C LIG 1 2.313 -1.392 0.294 0.00 0.00 +0.122 A ATOM 13 C LIG 1 1.963 -0.155 -0.260 0.00 0.00 +0.050 A ATOM 14 C LIG 1 1.303 0.826 0.496 0.00 0.00 -0.027 A ATOM 15 C LIG 1 1.002 0.552 1.835 0.00 0.00 +0.005 A ATOM 16 C LIG 1 1.333 -0.684 2.389 0.00 0.00 +0.004 A ATOM 17 C LIG 1 1.982 -1.654 1.620 0.00 0.00 +0.046 A BRANCH 12 18 ATOM 18 O LIG 1 2.950 -2.228 -0.575 0.00 0.00 -0.478 OA BRANCH 18 19 ATOM 19 C LIG 1 3.648 -3.391 -0.142 0.00 0.00 +0.281 C BRANCH 19 21 ATOM 20 C LIG 1 5.794 -2.048 0.183 0.00 0.00 +0.008 C ATOM 21 C LIG 1 4.838 -3.071 0.785 0.00 0.00 +0.053 C ENDBRANCH 19 21 BRANCH 19 22 ATOM 22 C LIG 1 2.806 -4.590 0.348 0.00 0.00 +0.346 C ATOM 23 O LIG 1 1.605 -4.575 0.571 0.00 0.00 -0.247 OA BRANCH 22 24 ATOM 24 O LIG 1 3.520 -5.739 0.479 0.00 0.00 -0.478 OA ATOM 25 H LIG 1 4.452 -5.686 0.197 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 18 19 ENDBRANCH 12 18 ENDBRANCH 11 14 ENDBRANCH 1 11 BRANCH 1 26 ATOM 26 C LIG 1 -1.376 1.371 -0.759 0.00 0.00 +0.113 C BRANCH 26 27 ATOM 27 C LIG 1 -2.432 0.852 0.222 0.00 0.00 +0.060 C BRANCH 27 28 ATOM 28 C LIG 1 -3.160 -0.369 -0.331 0.00 0.00 +0.230 C BRANCH 28 29 ATOM 29 O LIG 1 -2.216 -1.431 -0.444 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 -2.690 -2.666 -0.781 0.00 0.00 +0.121 A ATOM 31 C LIG 1 -1.757 -3.699 -0.663 0.00 0.00 +0.045 A ATOM 32 C LIG 1 -2.106 -5.013 -0.976 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -3.396 -5.300 -1.418 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.330 -4.273 -1.544 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -3.979 -2.956 -1.227 0.00 0.00 +0.045 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 13